N-(diphenylmethyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(diphenylmethyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzhydryl-propanamide CAS Name: N-(diphenylmethyl)-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-benzhydryl-2-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-benzhydryl-propionamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O3S/c1-3-18-31-25(22-14-16-23(17-15-22)32(34)35)29-30-27(31)36-19(2)26(33)28-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h3-17,19,24H,1,18H2,2H3,(H,28,33)