[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-13(2)20-22-23-21(24(20)16-9-10-16)29-18-11-8-15(12-17(18)25(27)28)19(26)14-6-4-3-5-7-14/h3-8,11-13,16H,9-10H2,1-2H3