9-methyl-1-phenyl-10b-pyrrolidin-1-yl-4,5-dihydro-3aH-[1]benzothiepino[4,5-d][1,2,3]triazole

Systemtic Name: 9-methyl-1-phenyl-10b-pyrrolidin-1-yl-4,5-dihydro-3aH-[1]benzothiepino[4,5-d][1,2,3]triazole Openeye Name: 9-methyl-1-phenyl-10b-pyrrolidin-1-yl-4,5-dihydro-3aH-[1]benzothiepino[4,5-d]triazole CAS Name: 9-methyl-1-phenyl-10b-(1-pyrrolidinyl)-4,5-dihydro-3aH-[1]benzothiepino[4,5-d]triazole IUPAC Name: 9-methyl-1-phenyl-10b-pyrrolidin-1-yl-4,5-dihydro-3aH-[1]benzothiepino[4,5-d]triazole Traditional Name: 9-methyl-1-phenyl-10b-pyrrolidino-4,5-dihydro-3aH-[1]benzothiepino[4,5-d]triazole Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCC3C2(N(N=N3)C4=CC=CC=C4)N5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)SCCC3C2(N(N=N3)C4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C21H24N4S/c1-16-9-10-19-18(15-16)21(24-12-5-6-13-24)20(11-14-26-19)22-23-25(21)17-7-3-2-4-8-17/h2-4,7-10,15,20H,5-6,11-14H2,1H3