(5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methyl-2-phenyl-1,2,3-triazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-2-phenyl-4-triazolyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-methyl-2-phenyl-triazol-4-yl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN(CC2)CC3=CSC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN(CC2)CC3=CSC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-16-19(22-25(21-16)18-6-3-2-4-7-18)20(26)24-10-5-9-23(11-12-24)14-17-8-13-27-15-17/h2-4,6-8,13,15H,5,9-12,14H2,1H3